m-(Diethylamino)phenyl acetate

Base Information

• Chemical Name: m-(Diethylamino)phenyl acetate
• CAS No.: 18997-95-0
• Molecular Formula: C12H17 N O2
• Molecular Weight: 207.272
• Hs Code.: 2922199090
• European Community (EC) Number: 242-737-2
• DSSTox Substance ID: DTXSID60172439
• Nikkaji Number: J224.826C
• Wikidata: Q83042538
• Mol file: 18997-95-0.mol

Synonyms:m-(Diethylamino)phenyl acetate;18997-95-0;[3-(diethylamino)phenyl] acetate;[3-(Diethylamino)phenyl]acetate;EINECS 242-737-2;3-(diethylamino)phenyl acetate;SCHEMBL11242342;DTXSID60172439;Acetic acid 3-(diethylamino)phenyl ester

Chemical Property of m-(Diethylamino)phenyl acetate

Chemical Property:

• Vapor Pressure: 0.000542mmHg at 25°C
• Boiling Point: 312.1°Cat760mmHg
• Flash Point: 116.9°C
• PSA: 29.54000
• Density: 1.046g/cm³
• LogP: 2.45810
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 207.125928785
• Heavy Atom Count: 15
• Complexity: 202

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=CC(=CC=C1)OC(=O)C

Technology Process of m-(Diethylamino)phenyl acetate

There total 1 articles about m-(Diethylamino)phenyl acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

acetic anhydride (108-24-7) + 3-diethylaminophenol (91-68-9) → 3-(diethylamino)phenyl acetate (18997-95-0)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1021/acs.joc.5b00077

Reference yield: 78.0%

3-(diethylamino)phenyl acetate (18997-95-0) → 2-iodo-5-diethyiaminophenyl acetate (342890-09-9)

Guidance literature:

With iodine; thallium(I) acetate; In dichloromethane;

DOI:10.1021/ja002370t

Reference yield: 40.0%

3-(diethylamino)phenyl acetate (18997-95-0) + trifluoroacetic anhydride (407-25-0) → 4-(dimethylamino)-1′,1′,1′-trifluoro-2-hydroxyacetophenone (333303-11-0)

Guidance literature:

3-(diethylamino)phenyl acetate; trifluoroacetic anhydride; In diethyl ether; for 3h; Reflux;

With hydrogenchloride; In tetrahydrofuran; Dimethyl ether; at 20 ℃; for 24h;

DOI:10.1021/acs.joc.6b00981

upstream raw materials:

acetic anhydride

3-diethylaminophenol

Downstream raw materials:

2-iodo-5-diethyiaminophenyl acetate

3-diethylamino-6-ethynylphenyl acetate

3-diethylamino-6-(trimethylsilyl)ethynylphenyl acetate.

4-(dimethylamino)-1′,1′,1′-trifluoro-2-hydroxyacetophenone

Refernces

• 1、 Niu, Guangle,Liu, Weimin,Wu, Jiasheng,Zhou, Bingjiang,Chen, Jianhong,Zhang, Hongyan,Ge, Jiechao,Wang, Ying,Xu, Haitao,Wang, Pengfei. "Aminobenzofuran-fused rhodamine dyes with deep-red to near-infrared emission for biological applications". . p. 3170 - 3175. Retrieved 2015.